2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile

C26H27N3O2S — CID 1040571

IUPAC2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@H](O)CN3CCOCC3)c2C#N)cc1
InChIInChI=1S/C26H27N3O2S/c1-19-7-9-20(10-8-19)23-15-25(21-5-3-2-4-6-21)28-26(24(23)16-27)32-18-22(30)17-29-11-13-31-14-12-29/h2-10,15,22,30H,11-14,17-18H2,1H3/t22-/m0/s1
InChIKeyKYRVAPHVJGAJFC-QFIPXVFZSA-N
MW445.59 g/mol
LogP4.38
Rot. Bonds7

About 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile

2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 1040571) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID1040571
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@H](O)CN3CCOCC3)c2C#N)cc1
InChIInChI=1S/C26H27N3O2S/c1-19-7-9-20(10-8-19)23-15-25(21-5-3-2-4-6-21)28-26(24(23)16-27)32-18-22(30)17-29-11-13-31-14-12-29/h2-10,15,22,30H,11-14,17-18H2,1H3/t22-/m0/s1
InChIKeyKYRVAPHVJGAJFC-QFIPXVFZSA-N
XLogP4.38
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile with MolForge

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Related Compounds

2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1253037
6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
2-(3-benzylsulfonyl-2-hydroxypropyl)sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3346994
2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 3165371
2-[3-(4-tert-butylphenyl)sulfanyl-2-hydroxypropyl]sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3354094
6-(4-bromophenyl)-2-(3-butylsulfanyl-2-hydroxypropyl)sulfanyl-4-phenylpyridine-3-carbonitrile
CID 3348807
2-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3352499
2-(3-butylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile
CID 3343649
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3352624
2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 7008150

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile (CID 1040571) is 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@H](O)CN3CCOCC3)c2C#N)cc1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is KYRVAPHVJGAJFC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-19-7-9-20(10-8-19)23-15-25(21-5-3-2-4-6-21)28-26(24(23)16-27)32-18-22(30)17-29-11-13-31-14-12-29/h2-10,15,22,30H,11-14,17-18H2,1H3/t22-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile?
2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 445.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1040571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).